N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide

C10H14N4O3 — CID 80591690

IUPACN,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)N(CC(N)=O)CC(N)=O)CCC1
InChIInChI=1S/C10H14N4O3/c11-6-10(2-1-3-10)9(17)14(4-7(12)15)5-8(13)16/h1-5H2,(H2,12,15)(H2,13,16)
InChIKeyPQKXQULMDOXIGC-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.52
Rot. Bonds5

About N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide

N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide (PubChem CID 80591690) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
PubChem CID80591690
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)N(CC(N)=O)CC(N)=O)CCC1
InChIInChI=1S/C10H14N4O3/c11-6-10(2-1-3-10)9(17)14(4-7(12)15)5-8(13)16/h1-5H2,(H2,12,15)(H2,13,16)
InChIKeyPQKXQULMDOXIGC-UHFFFAOYSA-N
XLogP-1.52
TPSA130.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide (CID 80591690) is N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide is N#CC1(C(=O)N(CC(N)=O)CC(N)=O)CCC1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide?
The InChIKey is PQKXQULMDOXIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-6-10(2-1-3-10)9(17)14(4-7(12)15)5-8(13)16/h1-5H2,(H2,12,15)(H2,13,16).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide?
N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 80591690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).